Chemical ID: 7720556

CCN(Cc1ccccc1)c2c3c(ccs3)n4c(n2)c(nn4)S(=O)(=O)c5ccc(cc5)C
Chemical ID:
7720556
Name [?]:
None
SMILES [?]:
CCN(Cc1ccccc1)c2c3c(ccs3)n4c(n2)c(nn4)S(=O)(=O)c5ccc(cc5)C
InChi [?]:
InChI=1/C23H21N5O2S2/c1-3-27(15-17-7-5-4-6-8-17)21-20-19(13-14-31-20)28-22(24-21)23(25-26-28)32(29,30)18-11-9-16(2)10-12-18/h4-14H,3,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,2,8,7,9,6,10,28,30,27,31,14,15,4,29,5,26,13,12,11,18,20,19,21,22,3,17,24,25,16,23/E:(5,6)(7,8)(9,10)(11,12)(29,30)/CRV:32.6/rA:32nCCNCCCCCCCCCCCCSNCNCNNSOOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;s11;d12;s13;d14;s12s15;s13;s17;d11s18;d18;s20;s17d21;s20;d23;d23;s23;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21N5O2S2
All Atoms:53
Heavy Atoms:32
Chiral Atoms:None
ZAP Information [?]
Total:13.8563
Area:659.228
Solvation:-2.62444
Coulombic:-27.3233
Bond Count [?]
All:36
Single:23
Double:13
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.41
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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